S-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanylidene-hexan-2-yl] ethanethioate

Systemtic Name: S-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanylidene-hexan-2-yl] ethanethioate Openeye Name: S-[5-(1,3-dioxoisoindolin-2-yl)-1-formyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[6-(1,3-dioxo-2-isoindolyl)-1-oxohexan-2-yl] ester IUPAC Name: S-[6-(1,3-dioxoisoindol-2-yl)-1-oxohexan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-(1-formyl-5-phthalimido-pentyl) ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCCN1C(=O)C2=CC=CC=C2C1=O)C=O

Isomeric SMILES

CC(=O)SC(CCCCN1C(=O)C2=CC=CC=C2C1=O)C=O

InChI

InChI=1S/C16H17NO4S/c1-11(19)22-12(10-18)6-4-5-9-17-15(20)13-7-2-3-8-14(13)16(17)21/h2-3,7-8,10,12H,4-6,9H2,1H3